PolynomialCorrection

class chemotools.baseline.PolynomialCorrection(order: int = 1, indices: list | None = None)

基类：TransformerMixin, OneToOneFeatureMixin, BaseEstimator

A transformer that subtracts a polynomial baseline from the input data. The polynomial is fitted to the points in the spectrum specified by the indices parameter.

参数:

• order (int, optional, default=1) -- The order of the polynomial to fit to the baseline. Defaults to 1.

• indices (list, optional, default=None) -- The indices of the points in the spectrum to fit the polynomial to. Defaults to None, which fits the polynomial to all points in the spectrum (equivalent to detrend).

变量:

• n_features_in (int) -- The number of features in the input data.

• indices (list) -- The indices of the points in the spectrum to fit the polynomial to. If indices is None, this will be a list of all indices in the spectrum.

示例

>>> from chemotools.baseline import PolynomialCorrection
>>> from chemotools.datasets import load_fermentation_train
>>> # Load sample data
>>> X, _ = load_fermentation_train()
>>> # Instantiate the transformer
>>> transformer = PolynomialCorrection(
...     order=2, indices=[0, 100, 200, 300, 400, 500]
... )
PolynomialCorrection()
>>> transformer.fit(X)
>>> # Generate baseline-corrected data
>>> X_corrected = transformer.transform(X)

fit(X: ndarray, y=None) → PolynomialCorrection

Fit the transformer to the input data.

参数:

• X (np.ndarray of shape (n_samples, n_features)) -- The input data to fit the transformer to.

• y (None) -- Ignored to align with API.

返回:

self -- The fitted transformer.

返回类型:

PolynomialCorrection

transform(X: ndarray, y=None) → ndarray

Transform the input data by subtracting the polynomial baseline.

参数:

• X (np.ndarray of shape (n_samples, n_features)) -- The input data to transform.

• y (None) -- Ignored to align with API.

返回:

X_transformed -- The transformed data.

返回类型:

np.ndarray of shape (n_samples, n_features)